4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one

C13H18N4O — CID 136877703

IUPAC4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(-c2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H18N4O/c1-8(2)11-5-12(18)16-13(15-11)10-6-14-17(7-10)9(3)4/h5-9H,1-4H3,(H,15,16,18)
InChIKeyGWBRCYJCYUURQC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.34
Rot. Bonds3

About 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one

4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136877703) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136877703
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(-c2cnn(C(C)C)c2)n1
InChIInChI=1S/C13H18N4O/c1-8(2)11-5-12(18)16-13(15-11)10-6-14-17(7-10)9(3)4/h5-9H,1-4H3,(H,15,16,18)
InChIKeyGWBRCYJCYUURQC-UHFFFAOYSA-N
XLogP2.34
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877750
5-(2-hydroxyethyl)-4-methyl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136877721
2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136920201
2-[3-(difluoromethyl)phenyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 137012797
2-(dimethylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 135973672
4-(2,6-diethyl-4-propan-2-ylphenyl)-1-propan-2-ylpyrazole;platinum
CID 153414805
2,6-dichloro-4-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 86659391
4-(chloromethyl)-2-[1-(2-methylpropyl)pyrazol-4-yl]-1H-pyrimidin-6-one
CID 136713380
2-bromo-6-(1-propan-2-ylpyrazol-4-yl)pyridine
CID 171783811
15-bromo-4-(1-propan-2-ylpyrazol-4-yl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 24887376
4-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136677185
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136877703) is 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(-c2cnn(C(C)C)c2)n1.
What is the InChIKey of 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is GWBRCYJCYUURQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)11-5-12(18)16-13(15-11)10-6-14-17(7-10)9(3)4/h5-9H,1-4H3,(H,15,16,18).
What are the key properties of 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one?
4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 246.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136877703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).